/elpa-benchmarks

Benchmark the ELPA library.

Primary LanguageC++BSD 2-Clause "Simplified" LicenseBSD-2-Clause

Generation of ELSES data

You can generate multiple repeitions of the same data. This can be done by specifying the main .xyz file first from the ELPA sources, and then using the generated C60_fcc.xml and C60_fcc.xyz files for reading the actual geometry.